3,4-dichloro-3-ethenyldodec-1-ene

C14H24Cl2 — CID 150880814

IUPAC3,4-dichloro-3-ethenyldodec-1-ene
SMILESC=CC(Cl)(C=C)C(Cl)CCCCCCCC
InChIInChI=1S/C14H24Cl2/c1-4-7-8-9-10-11-12-13(15)14(16,5-2)6-3/h5-6,13H,2-4,7-12H2,1H3
InChIKeyKVYYFTWVUGGGCS-UHFFFAOYSA-N
MW263.25 g/mol
LogP5.69
Rot. Bonds10

About 3,4-dichloro-3-ethenyldodec-1-ene

3,4-dichloro-3-ethenyldodec-1-ene (PubChem CID 150880814) has the molecular formula C14H24Cl2 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3,4-dichloro-3-ethenyldodec-1-ene.

Molecular Properties

Compound Name3,4-dichloro-3-ethenyldodec-1-ene
PubChem CID150880814
Molecular FormulaC14H24Cl2
Molecular Weight263.25 g/mol
Exact Mass262.13
IUPAC Name3,4-dichloro-3-ethenyldodec-1-ene
SMILESC=CC(Cl)(C=C)C(Cl)CCCCCCCC
InChIInChI=1S/C14H24Cl2/c1-4-7-8-9-10-11-12-13(15)14(16,5-2)6-3/h5-6,13H,2-4,7-12H2,1H3
InChIKeyKVYYFTWVUGGGCS-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.25
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trichlorooctan-1-amine
CID 122585426
3-chloro-2,2-dimethylhexadecane
CID 63461295
3-chloro-3,4-dimethyldodec-1-ene
CID 150187034
3-chloronon-1-ene
CID 3021823
1,1,1,2,2,3-hexabromo-3,4-dichlorododecane
CID 88623568
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
2,2,3,3,4-pentachlorooctadecanoic acid
CID 54294566
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
ethene;undecane
CID 161157037
3,3-dimethylnonadec-1-en-4-amine;hydrochloride
CID 175129855

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-3-ethenyldodec-1-ene?
The IUPAC name of 3,4-dichloro-3-ethenyldodec-1-ene (CID 150880814) is 3,4-dichloro-3-ethenyldodec-1-ene.
What is the SMILES notation for 3,4-dichloro-3-ethenyldodec-1-ene?
The canonical SMILES for 3,4-dichloro-3-ethenyldodec-1-ene is C=CC(Cl)(C=C)C(Cl)CCCCCCCC.
What is the InChIKey of 3,4-dichloro-3-ethenyldodec-1-ene?
The InChIKey is KVYYFTWVUGGGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2/c1-4-7-8-9-10-11-12-13(15)14(16,5-2)6-3/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of 3,4-dichloro-3-ethenyldodec-1-ene?
3,4-dichloro-3-ethenyldodec-1-ene has a molecular weight of 263.25 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-3-ethenyldodec-1-ene is sourced from PubChem (CID 150880814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).